Geometry & MOs

Info

ID:	311188
PubChem CID:	126589833
Reduced:	ClFN5O5H19C24 (1)
Stoich.:	ABC5D5E19F24 (1)
Weight, g/mol:	424.10054
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	3.89
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-3-oxopropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C([C@H](C(O2)N3C=NC4=C(N=C(N=C43)Cl)N)F)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations